Information card for entry 2224992

Structure parameters

• Common name: Guanidinium chlorochromate
• Chemical name: guanidinium chloridotrioxidochromate(VI)
• Formula: C H6 Cl Cr N3 O3
• Calculated formula: C H6 Cl Cr N3 O3
• SMILES: [NH2+]=C(N)N.[O-][Cr](=O)(Cl)=O
• Title of publication: Guanidinium chlorochromate
• Authors of publication: Fun, Hoong-Kun; Goh, Jia Hao; Kar, Arnab; Goswami, Shyamaprosad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m203
• a: 5.9708 ± 0.0002 Å
• b: 7.5302 ± 0.0002 Å
• c: 14.7085 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 661.31 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes